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Chemical ID: 6322580
Chemical ID:
6322580
Name [?]:
2-methyl-N-(2,4,5-trichlorophenyl)-propanamide
SMILES [?]:
CC(C)C(=O)Nc1cc(c(cc1Cl)Cl)Cl
InChi [?]:
InChI=1/C10H10Cl3NO/c1-5(2)10(15)14-9-4-7(12)6(11)3-8(9)13/h3-5H,1-2H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,3,11,8,2,10,9,12,7,4,14,15,13,6,5/E:(1,2)/rA:15nCCCCONCCCCCCClClCl/rB:s1;s2;s2;d4;s4;s6;s7;d8;s9;d10;d7s11;s12;s10;s9;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H10Cl3NO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.22271 |
Area: | 428.102 |
Solvation: | -1.47985 |
Coulombic: | -21.7329 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 266.551 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.69 |
LogP (Chemaxon): | 3.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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